MolScore-products help to identify and prioritise promising drug candidates with the maximum possibility of success in human trials.

MolScore-products can be combined with other predictive tools to select the most suitable drug candidates for further development. To provide an example we have used MolScore-Drugs and MolScore-Antibiotics to prioritise novel antibacterial lead structures.

MolScore products
 preselect compounds which display the highest probability to become a successful drug.
 

Drug Pattern
can contain information about structural composition, chemical topology, ADME characteristics, toxicity-profile, synthetic availability, bioavailability, etc.
 

Lead selection & prioritisation

Both expert systems are based on a variety of independent models which assess different molecular patterns and properties.

A combination of both tools improves the drug candidate selection process.

MolScore-products are able to prioritise derivatives of lead structures. In practice the substitution of one functional group can have an important influence on biological activity and ADME-properties and this is reflected in the prediction result.

Application of customised tools derived from our ADME/Tox database will further improve the identification of potential risks in order to reduce clinical failures.

 
Our proprietary
platform technology
contains tens of millions of substances together with experimental data,
tens of thousands of 3D- models and
a huge amount of related scientific data.
 

 
The number of potential molecules in pharmaceutical in-house databases has increased to such an extent, that the screening of all substances for possible drug applications has become ineffective and highly
cost-sensitive.